3-propan-2-yl-3,4-dihydro-1H-thieno[3,2-e][1,4]diazepine-2,5-dione

C10H12N2O2S — CID 135059869

IUPAC3-propan-2-yl-3,4-dihydro-1H-thieno[3,2-e][1,4]diazepine-2,5-dione
SMILESCC(C)C1NC(=O)c2sccc2NC1=O
InChIInChI=1S/C10H12N2O2S/c1-5(2)7-9(13)11-6-3-4-15-8(6)10(14)12-7/h3-5,7H,1-2H3,(H,11,13)(H,12,14)
InChIKeyVFICHZHYHFREMO-UHFFFAOYSA-N
MW224.28 g/mol
LogP1.45
Rot. Bonds1

About 3-propan-2-yl-3,4-dihydro-1H-thieno[3,2-e][1,4]diazepine-2,5-dione

3-propan-2-yl-3,4-dihydro-1H-thieno[3,2-e][1,4]diazepine-2,5-dione (PubChem CID 135059869) has the molecular formula C10H12N2O2S and a molecular weight of 224.28 g/mol. Its IUPAC name is 3-propan-2-yl-3,4-dihydro-1H-thieno[3,2-e][1,4]diazepine-2,5-dione.

Molecular Properties

Compound Name3-propan-2-yl-3,4-dihydro-1H-thieno[3,2-e][1,4]diazepine-2,5-dione
PubChem CID135059869
Molecular FormulaC10H12N2O2S
Molecular Weight224.28 g/mol
Exact Mass224.06
IUPAC Name3-propan-2-yl-3,4-dihydro-1H-thieno[3,2-e][1,4]diazepine-2,5-dione
SMILESCC(C)C1NC(=O)c2sccc2NC1=O
InChIInChI=1S/C10H12N2O2S/c1-5(2)7-9(13)11-6-3-4-15-8(6)10(14)12-7/h3-5,7H,1-2H3,(H,11,13)(H,12,14)
InChIKeyVFICHZHYHFREMO-UHFFFAOYSA-N
XLogP1.45
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-3,4-dihydro-1H-thieno[3,2-e][1,4]diazepine-2,5-dione?
The IUPAC name of 3-propan-2-yl-3,4-dihydro-1H-thieno[3,2-e][1,4]diazepine-2,5-dione (CID 135059869) is 3-propan-2-yl-3,4-dihydro-1H-thieno[3,2-e][1,4]diazepine-2,5-dione.
What is the SMILES notation for 3-propan-2-yl-3,4-dihydro-1H-thieno[3,2-e][1,4]diazepine-2,5-dione?
The canonical SMILES for 3-propan-2-yl-3,4-dihydro-1H-thieno[3,2-e][1,4]diazepine-2,5-dione is CC(C)C1NC(=O)c2sccc2NC1=O.
What is the InChIKey of 3-propan-2-yl-3,4-dihydro-1H-thieno[3,2-e][1,4]diazepine-2,5-dione?
The InChIKey is VFICHZHYHFREMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2S/c1-5(2)7-9(13)11-6-3-4-15-8(6)10(14)12-7/h3-5,7H,1-2H3,(H,11,13)(H,12,14).
What are the key properties of 3-propan-2-yl-3,4-dihydro-1H-thieno[3,2-e][1,4]diazepine-2,5-dione?
3-propan-2-yl-3,4-dihydro-1H-thieno[3,2-e][1,4]diazepine-2,5-dione has a molecular weight of 224.28 g/mol, XLogP of 1.45, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-3,4-dihydro-1H-thieno[3,2-e][1,4]diazepine-2,5-dione is sourced from PubChem (CID 135059869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).